2,3,4,6,8-Pentachloro-7-methoxyquinoline
COc1c(cc2c(c1Cl)nc(c(c2Cl)Cl)Cl)Cl
InChI=1S/C10H4Cl5NO/c1-17-9-4(11)2-3-5(12)6(13)10(15)16-8(3)7(9)14/h2H,1H3
OYDZWNJNLBOJDL-UHFFFAOYSA-N
CSID:2066113, http://www.chemspider.com/Chemical-Structure.2066113.html (accessed 08:42, Apr 19, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.45 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 379.96 (Adapted Stein & Brown method) Melting Pt (deg C): 147.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.43E-006 (Modified Grain method) Subcooled liquid VP: 2.54E-005 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.179 log Kow used: 5.45 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.85749 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.74E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.484E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.45 (KowWin est) Log Kaw used: -4.630 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.080 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1904 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.3757 (recalcitrant) Biowin4 (Primary Survey Model) : 2.6200 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0391 Biowin6 (MITI Non-Linear Model): 0.0013 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1723 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00339 Pa (2.54E-005 mm Hg) Log Koa (Koawin est ): 10.080 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000886 Octanol/air (Koa) model: 0.00295 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.031 Mackay model : 0.0662 Octanol/air (Koa) model: 0.191 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.5146 E-12 cm3/molecule-sec Half-Life = 7.062 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 84.744 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0486 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.649E+004 Log Koc: 4.217 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.493 (BCF = 3115) log Kow used: 5.45 (estimated) Volatilization from Water: Henry LC: 5.74E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1859 hours (77.45 days) Half-Life from Model Lake : 2.043E+004 hours (851.2 days) Removal In Wastewater Treatment: Total removal: 87.62 percent Total biodegradation: 0.74 percent Total sludge adsorption: 86.87 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.205 169 1000 Water 2.65 4.32e+003 1000 Soil 64.1 8.64e+003 1000 Sediment 33.1 3.89e+004 0 Persistence Time: 8.1e+003 hr
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